Geometry & MOs

Info

ID:	329813
PubChem CID:	127246680
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	4.42
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)S(=O)(=O)C3=CC=CC(=C3)OC)C

DOS

IR

Vibrations